4-Nitro-2-(trifluoromethyl)benzonitrile
Grundinformationen
- CAS
320-47-8- Standard-SMILES
N#Cc1ccc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
AGKQJEFSEQHGTA-UHFFFAOYSA-N- Summenformel
- C8H3F3N2O2
- Durchschnittliche Molmasse
- 216,12 g/mol
- Monoisotopische Masse
- 216,014662
Namen und Bezeichner
- Bevorzugter Name
- 4-Nitro-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-nitro-2-(trifluoromethyl)benzonitrile
- Englischer Name
- 4-NITRO-2-(TRIFLUOROMETHYL)BENZONITRILE
- Summenformel
- C8H3F3N2O2
- Molmasse
- 216.12
Namen und Synonyme
4-Nitro-2-(trifluoromethyl)benzonitrile320-47-82-Cyano-5-nitrobenzotrifluorideBenzonitrile, 4-nitro-2-(trifluoromethyl)-WZK23R6C2VDTXSID50379692RefChem:100014DTXCID00330718623-803-3MFCD010757292-(trifluoromethyl)-4-nitrobenzonitrileSCHEMBL2853583
Weitere Namen anzeigen
BUTTPARK 91\04-59Enzalutamide EZL-imH2-Cyano-5-nitrobenzotrEnzalutamide Impurity 244-Nitro-2-(Trifluoromethyl)Ben2-Cyano-5-nitrobenzotrifluoride98%2-Cyano-5-nitrobenzotrifluoride 98%4-Nitro-2-trifluoromethylbenzotrile-Nitro-2-(trifluoromethyl)benzonitrile
CK2123AS-190644-Nitro-2-(trifluoromethyl)benzonitrile, 97%4-nitro-2-(trifluoromethyl)benzenecarbonitrile2-trifluoromethyl-4-nitrobenzonitrileAM61899UNII-WZK23R6C2VA20982
Datenbank-Bezeichner
- CAS
320-47-8- PubChem CID
- 2775783
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 69,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 301
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-53 °C(lit.)
- Siedepunkt
- 297.7 · 297.7±40.0 °C(Predicted)
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Yellow to Green
- BRN
- 2281014 · 2281014
- InChI
- 1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H
- InChIKey
- AGKQJEFSEQHGTA-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(C#N)c(c1)C(F)(F)F
- CAS Datenbank
- 320 · 320-47-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 36/37/38
- hazard_code
- Xi,T
- hazard_note
- Harmful
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4-Nitro-2-(trifluoromethyl)benzonitrile is a benzonitrile derivative containing trifluoromethyl and nitro substituents at the 2 and 4 positions. It can be used as an electrochemical material for lithium ion battery research. In the field of organic synthesis, it is also used in the preparation of substituted phenoxyphenyl ketones, which can be further reacted to obtain substituted 1-[4-phenoxy-2-(haloalkyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol compounds.
Anbieter86 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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